N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine

C16H27NO — CID 43182585

IUPACN-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
SMILESCC(C)COCCCNCC(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)13-18-11-7-10-17-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3
InChIKeyMJRWRQIZLHILHP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds9

About N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine

N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine (PubChem CID 43182585) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
PubChem CID43182585
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
SMILESCC(C)COCCCNCC(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)13-18-11-7-10-17-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3
InChIKeyMJRWRQIZLHILHP-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
CID 43770151
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine (CID 43182585) is N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine is CC(C)COCCCNCC(C)c1ccccc1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine?
The InChIKey is MJRWRQIZLHILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)13-18-11-7-10-17-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine?
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43182585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).