N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride

C23H30ClN — CID 139686986

IUPACN-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride
SMILESCCC(CC=Cc1ccccc1)(c1ccccc1C)N(C)C1CC1.Cl
InChIInChI=1S/C23H29N.ClH/c1-4-23(24(3)21-16-17-21,22-15-9-8-11-19(22)2)18-10-14-20-12-6-5-7-13-20;/h5-15,21H,4,16-18H2,1-3H3;1H
InChIKeyAEOLUFHZMZLZCM-UHFFFAOYSA-N
MW355.95 g/mol
LogP6.22
Rot. Bonds7

About N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride

N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride (PubChem CID 139686986) has the molecular formula C23H30ClN and a molecular weight of 355.95 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride
PubChem CID139686986
Molecular FormulaC23H30ClN
Molecular Weight355.95 g/mol
Exact Mass355.21
IUPAC NameN-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride
SMILESCCC(CC=Cc1ccccc1)(c1ccccc1C)N(C)C1CC1.Cl
InChIInChI=1S/C23H29N.ClH/c1-4-23(24(3)21-16-17-21,22-15-9-8-11-19(22)2)18-10-14-20-12-6-5-7-13-20;/h5-15,21H,4,16-18H2,1-3H3;1H
InChIKeyAEOLUFHZMZLZCM-UHFFFAOYSA-N
XLogP6.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.95
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
CID 150436491
N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
CID 67942350
triethyl(4-phenylbut-3-enyl)silane
CID 85256276
ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
CID 146162572
benzene;but-1-enylbenzene
CID 157481332
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(E)-4,4,4-tris(methylsulfanyl)but-1-enyl]benzene
CID 15833819
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride?
The IUPAC name of N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride (CID 139686986) is N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride is CCC(CC=Cc1ccccc1)(c1ccccc1C)N(C)C1CC1.Cl.
What is the InChIKey of N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride?
The InChIKey is AEOLUFHZMZLZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N.ClH/c1-4-23(24(3)21-16-17-21,22-15-9-8-11-19(22)2)18-10-14-20-12-6-5-7-13-20;/h5-15,21H,4,16-18H2,1-3H3;1H.
What are the key properties of N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride?
N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 139686986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).