N-methyl-N-(2-phenylethyl)prop-1-en-2-amine

C12H17N — CID 118670285

IUPACN-methyl-N-(2-phenylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCc1ccccc1
InChIInChI=1S/C12H17N/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyMFUCAMOMSPHDGL-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)prop-1-en-2-amine

N-methyl-N-(2-phenylethyl)prop-1-en-2-amine (PubChem CID 118670285) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)prop-1-en-2-amine
PubChem CID118670285
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-methyl-N-(2-phenylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCc1ccccc1
InChIInChI=1S/C12H17N/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyMFUCAMOMSPHDGL-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
CID 91113083
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
N,2,2-trimethyl-N-(2-phenylethyl)propanethioamide
CID 12606841
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)prop-1-en-2-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)prop-1-en-2-amine (CID 118670285) is N-methyl-N-(2-phenylethyl)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)prop-1-en-2-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)prop-1-en-2-amine is C=C(C)N(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)prop-1-en-2-amine?
The InChIKey is MFUCAMOMSPHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3.
What are the key properties of N-methyl-N-(2-phenylethyl)prop-1-en-2-amine?
N-methyl-N-(2-phenylethyl)prop-1-en-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)prop-1-en-2-amine is sourced from PubChem (CID 118670285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).