N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine

C14H23NO — CID 103984701

IUPACN-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)9-15-10-14(11-16-3)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyBPSIQFSMRKPYNK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.66
Rot. Bonds7

About N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine

N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine (PubChem CID 103984701) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
PubChem CID103984701
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)9-15-10-14(11-16-3)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyBPSIQFSMRKPYNK-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
3-methoxy-2-phenylpropan-1-amine
CID 66968828
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine (CID 103984701) is N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine is COCC(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine?
The InChIKey is BPSIQFSMRKPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)9-15-10-14(11-16-3)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine?
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 103984701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).