N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine

C18H29NO — CID 103903391

IUPACN-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCC2(C)CCOCC2)c1
InChIInChI=1S/C18H29NO/c1-15-5-4-6-17(13-15)8-7-16(2)19-14-18(3)9-11-20-12-10-18/h4-6,13,16,19H,7-12,14H2,1-3H3
InChIKeyVPKXSVWCWNMWQT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.72
Rot. Bonds6

About N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine

N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 103903391) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID103903391
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCC2(C)CCOCC2)c1
InChIInChI=1S/C18H29NO/c1-15-5-4-6-17(13-15)8-7-16(2)19-14-18(3)9-11-20-12-10-18/h4-6,13,16,19H,7-12,14H2,1-3H3
InChIKeyVPKXSVWCWNMWQT-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 103903361
1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 65107241
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine (CID 103903391) is N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCC2(C)CCOCC2)c1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is VPKXSVWCWNMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-5-4-6-17(13-15)8-7-16(2)19-14-18(3)9-11-20-12-10-18/h4-6,13,16,19H,7-12,14H2,1-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 103903391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).