N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine

C25H29N3 — CID 141215090

IUPACN-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(Cc3nncc4c3CCCC4)c2)c1
InChIInChI=1S/C25H29N3/c1-18(2)26-16-20-8-6-11-22(14-20)21-10-5-7-19(13-21)15-25-24-12-4-3-9-23(24)17-27-28-25/h5-8,10-11,13-14,17-18,26H,3-4,9,12,15-16H2,1-2H3
InChIKeyRTIQQNDPWVTCIZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.11
Rot. Bonds6

About N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine

N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine (PubChem CID 141215090) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine
PubChem CID141215090
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC NameN-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(Cc3nncc4c3CCCC4)c2)c1
InChIInChI=1S/C25H29N3/c1-18(2)26-16-20-8-6-11-22(14-20)21-10-5-7-19(13-21)15-25-24-12-4-3-9-23(24)17-27-28-25/h5-8,10-11,13-14,17-18,26H,3-4,9,12,15-16H2,1-2H3
InChIKeyRTIQQNDPWVTCIZ-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[(3-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645094
1-phenyl-5,6,7,8-tetrahydrophthalazine
CID 102496179

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine (CID 141215090) is N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(-c2cccc(Cc3nncc4c3CCCC4)c2)c1.
What is the InChIKey of N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine?
The InChIKey is RTIQQNDPWVTCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c1-18(2)26-16-20-8-6-11-22(14-20)21-10-5-7-19(13-21)15-25-24-12-4-3-9-23(24)17-27-28-25/h5-8,10-11,13-14,17-18,26H,3-4,9,12,15-16H2,1-2H3.
What are the key properties of N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine?
N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine has a molecular weight of 371.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 141215090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).