N-methyl-4-phenyl-N-propylbutan-2-amine

C14H23N — CID 90881559

IUPACN-methyl-4-phenyl-N-propylbutan-2-amine
SMILESCCCN(C)C(C)CCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-12-15(3)13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNADVWPRFEVXZBD-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-4-phenyl-N-propylbutan-2-amine

N-methyl-4-phenyl-N-propylbutan-2-amine (PubChem CID 90881559) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-propylbutan-2-amine
PubChem CID90881559
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-methyl-4-phenyl-N-propylbutan-2-amine
SMILESCCCN(C)C(C)CCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-12-15(3)13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNADVWPRFEVXZBD-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
2-[chloro(4-phenylbutan-2-yl)amino]phenol
CID 89218233
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N-benzyl-N-methylheptan-2-amine
CID 101048002

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of N-methyl-4-phenyl-N-propylbutan-2-amine (CID 90881559) is N-methyl-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for N-methyl-4-phenyl-N-propylbutan-2-amine is CCCN(C)C(C)CCc1ccccc1.
What is the InChIKey of N-methyl-4-phenyl-N-propylbutan-2-amine?
The InChIKey is NADVWPRFEVXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-12-15(3)13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of N-methyl-4-phenyl-N-propylbutan-2-amine?
N-methyl-4-phenyl-N-propylbutan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 90881559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).