1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine

C27H35N3 — CID 170864471

IUPAC1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1-c1cccc(-c2c(CC(C)N)cccc2CC(C)N)c1
InChIInChI=1S/C27H35N3/c1-18(28)14-21-8-4-5-13-26(21)22-9-6-12-25(17-22)27-23(15-19(2)29)10-7-11-24(27)16-20(3)30/h4-13,17-20H,14-16,28-30H2,1-3H3
InChIKeyBZENPKGNFQTWEX-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.69
Rot. Bonds8

About 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine

1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine (PubChem CID 170864471) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine
PubChem CID170864471
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1-c1cccc(-c2c(CC(C)N)cccc2CC(C)N)c1
InChIInChI=1S/C27H35N3/c1-18(28)14-21-8-4-5-13-26(21)22-9-6-12-25(17-22)27-23(15-19(2)29)10-7-11-24(27)16-20(3)30/h4-13,17-20H,14-16,28-30H2,1-3H3
InChIKeyBZENPKGNFQTWEX-UHFFFAOYSA-N
XLogP4.69
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-4-ylphenyl)propan-2-amine
CID 131562837
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2R)-1-(5-phenylthiophen-2-yl)propan-2-amine
CID 18656702
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine (CID 170864471) is 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine is CC(N)Cc1ccccc1-c1cccc(-c2c(CC(C)N)cccc2CC(C)N)c1.
What is the InChIKey of 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine?
The InChIKey is BZENPKGNFQTWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-18(28)14-21-8-4-5-13-26(21)22-9-6-12-25(17-22)27-23(15-19(2)29)10-7-11-24(27)16-20(3)30/h4-13,17-20H,14-16,28-30H2,1-3H3.
What are the key properties of 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine?
1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine has a molecular weight of 401.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopropyl)-2-[3-[2-(2-aminopropyl)phenyl]phenyl]phenyl]propan-2-amine is sourced from PubChem (CID 170864471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).