2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine

C22H26N2 — CID 70834368

IUPAC2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
SMILESC[C@@H](NCc1cccc(C(C)(C)N)c1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2/c1-16(20-13-7-10-18-9-4-5-12-21(18)20)24-15-17-8-6-11-19(14-17)22(2,3)23/h4-14,16,24H,15,23H2,1-3H3/t16-/m1/s1
InChIKeyRJZIXBLVPFCFGF-MRXNPFEDSA-N
MW318.46 g/mol
LogP4.88
Rot. Bonds5

About 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine

2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine (PubChem CID 70834368) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
PubChem CID70834368
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
SMILESC[C@@H](NCc1cccc(C(C)(C)N)c1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2/c1-16(20-13-7-10-18-9-4-5-12-21(18)20)24-15-17-8-6-11-19(14-17)22(2,3)23/h4-14,16,24H,15,23H2,1-3H3/t16-/m1/s1
InChIKeyRJZIXBLVPFCFGF-MRXNPFEDSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]prop-2-yn-1-ol
CID 59562837
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine?
The IUPAC name of 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine (CID 70834368) is 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine?
The canonical SMILES for 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine is C[C@@H](NCc1cccc(C(C)(C)N)c1)c1cccc2ccccc12.
What is the InChIKey of 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine?
The InChIKey is RJZIXBLVPFCFGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2/c1-16(20-13-7-10-18-9-4-5-12-21(18)20)24-15-17-8-6-11-19(14-17)22(2,3)23/h4-14,16,24H,15,23H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine?
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine has a molecular weight of 318.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine is sourced from PubChem (CID 70834368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).