2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

C20H24N2O2 — CID 19048945

IUPAC2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESNCc1ccc(CNc2ccc3c(c2)CC(CC(=O)O)CC3)cc1
InChIInChI=1S/C20H24N2O2/c21-12-14-1-3-15(4-2-14)13-22-19-8-7-17-6-5-16(10-20(23)24)9-18(17)11-19/h1-4,7-8,11,16,22H,5-6,9-10,12-13,21H2,(H,23,24)
InChIKeyWJGGPRPOHNDPIU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds6

About 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (PubChem CID 19048945) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
PubChem CID19048945
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESNCc1ccc(CNc2ccc3c(c2)CC(CC(=O)O)CC3)cc1
InChIInChI=1S/C20H24N2O2/c21-12-14-1-3-15(4-2-14)13-22-19-8-7-17-6-5-16(10-20(23)24)9-18(17)11-19/h1-4,7-8,11,16,22H,5-6,9-10,12-13,21H2,(H,23,24)
InChIKeyWJGGPRPOHNDPIU-UHFFFAOYSA-N
XLogP3.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tug-469
CID 46941175
4-((3S)-3-(((1R)-1-(1-Naphthalenyl)ethyl)amino)-1-pyrrolidinyl)benzeneacetic acid
CID 71242808
3-[4-(Benzylamino)phenyl]propanoic acid
CID 23346507
2-(4-{[(4-Phenylphenyl)methyl]amino}phenyl)cyclopropane-1-carboxylic acid
CID 24825485
3-(4-[(3,5-Dimethylphenyl)amino]-2-{[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl}phenyl)propanoic acid
CID 10413147
[7-(4-Carbamimidoyl-benzoylamino)-1,2,3,4-tetrahydro-naphthalen-2-yl]-acetic acid
CID 10521872
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(3-methylphenyl)amino]phenyl}propanoic acid
CID 46887240
3-(4-{[(4-Phenylphenyl)methyl]amino}phenyl)propanoic acid
CID 24825484
3-(3-{[(4-Phenylphenyl)methyl]amino}phenyl)propanoic acid
CID 24825486
3-{4-[(Naphthalen-2-ylmethyl)amino]phenyl}propanoic acid
CID 24825491
{7-[4-(N-Allylcarbamimidoyl)-benzoylamino]-1,2,3,4-tetrahydro-naphthalen-2-yl}-acetic acid
CID 10620480
{7-[4-(N-Propylcarbamimidoyl)-benzoylamino]-1,2,3,4-tetrahydro-naphthalen-2-yl}-acetic acid
CID 10786753

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (CID 19048945) is 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is NCc1ccc(CNc2ccc3c(c2)CC(CC(=O)O)CC3)cc1.
What is the InChIKey of 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The InChIKey is WJGGPRPOHNDPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-12-14-1-3-15(4-2-14)13-22-19-8-7-17-6-5-16(10-20(23)24)9-18(17)11-19/h1-4,7-8,11,16,22H,5-6,9-10,12-13,21H2,(H,23,24).
What are the key properties of 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid has a molecular weight of 324.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[4-(aminomethyl)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 19048945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).