N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine

C13H21NO — CID 114998457

IUPACN-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
SMILESCNC(CCOC(C)C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)15-10-9-13(14-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyLZNMBVRVEQSCSC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine

N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine (PubChem CID 114998457) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
PubChem CID114998457
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
SMILESCNC(CCOC(C)C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)15-10-9-13(14-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyLZNMBVRVEQSCSC-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074601
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine (CID 114998457) is N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine is CNC(CCOC(C)C)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is LZNMBVRVEQSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)15-10-9-13(14-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3.
What are the key properties of N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine?
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 114998457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).