5-(2-anilinopropyl)nonan-5-ol

C18H31NO — CID 101408633

IUPAC5-(2-anilinopropyl)nonan-5-ol
SMILESCCCCC(O)(CCCC)CC(C)Nc1ccccc1
InChIInChI=1S/C18H31NO/c1-4-6-13-18(20,14-7-5-2)15-16(3)19-17-11-9-8-10-12-17/h8-12,16,19-20H,4-7,13-15H2,1-3H3
InChIKeyFGZXLSNEAGKRNE-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.99
Rot. Bonds10

About 5-(2-anilinopropyl)nonan-5-ol

5-(2-anilinopropyl)nonan-5-ol (PubChem CID 101408633) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-(2-anilinopropyl)nonan-5-ol.

Molecular Properties

Compound Name5-(2-anilinopropyl)nonan-5-ol
PubChem CID101408633
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-(2-anilinopropyl)nonan-5-ol
SMILESCCCCC(O)(CCCC)CC(C)Nc1ccccc1
InChIInChI=1S/C18H31NO/c1-4-6-13-18(20,14-7-5-2)15-16(3)19-17-11-9-8-10-12-17/h8-12,16,19-20H,4-7,13-15H2,1-3H3
InChIKeyFGZXLSNEAGKRNE-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
CID 11543104
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
8-benzylpentadecan-8-ol
CID 13016086
N-tridecan-6-ylaniline
CID 151143089
N-octan-4-ylaniline
CID 12779854
5-anilinohexan-3-one
CID 10397682
1-anilinohexadecan-1-ol
CID 173133122
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823
N-(1-decylsulfanylethyl)aniline
CID 15420315
(2S)-2-anilinooctan-1-ol
CID 135056963

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopropyl)nonan-5-ol?
The IUPAC name of 5-(2-anilinopropyl)nonan-5-ol (CID 101408633) is 5-(2-anilinopropyl)nonan-5-ol.
What is the SMILES notation for 5-(2-anilinopropyl)nonan-5-ol?
The canonical SMILES for 5-(2-anilinopropyl)nonan-5-ol is CCCCC(O)(CCCC)CC(C)Nc1ccccc1.
What is the InChIKey of 5-(2-anilinopropyl)nonan-5-ol?
The InChIKey is FGZXLSNEAGKRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-13-18(20,14-7-5-2)15-16(3)19-17-11-9-8-10-12-17/h8-12,16,19-20H,4-7,13-15H2,1-3H3.
What are the key properties of 5-(2-anilinopropyl)nonan-5-ol?
5-(2-anilinopropyl)nonan-5-ol has a molecular weight of 277.45 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopropyl)nonan-5-ol is sourced from PubChem (CID 101408633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).