(4-butoxyphenyl)-(2-methylphenyl)methanamine

C18H23NO — CID 105094897

IUPAC(4-butoxyphenyl)-(2-methylphenyl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-3-4-13-20-16-11-9-15(10-12-16)18(19)17-8-6-5-7-14(17)2/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeySBDMAYJLANIKBN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.22
Rot. Bonds6

About (4-butoxyphenyl)-(2-methylphenyl)methanamine

(4-butoxyphenyl)-(2-methylphenyl)methanamine (PubChem CID 105094897) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-butoxyphenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-butoxyphenyl)-(2-methylphenyl)methanamine
PubChem CID105094897
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-butoxyphenyl)-(2-methylphenyl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-3-4-13-20-16-11-9-15(10-12-16)18(19)17-8-6-5-7-14(17)2/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeySBDMAYJLANIKBN-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(2-methylphenyl)-phenylmethanamine
CID 15254157
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(4-ethoxyphenyl)-(2-iodophenyl)methanamine
CID 43197172
(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 105162171
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
CID 66989877
CID 66989877
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (4-butoxyphenyl)-(2-methylphenyl)methanamine (CID 105094897) is (4-butoxyphenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (4-butoxyphenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (4-butoxyphenyl)-(2-methylphenyl)methanamine is CCCCOc1ccc(C(N)c2ccccc2C)cc1.
What is the InChIKey of (4-butoxyphenyl)-(2-methylphenyl)methanamine?
The InChIKey is SBDMAYJLANIKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-13-20-16-11-9-15(10-12-16)18(19)17-8-6-5-7-14(17)2/h5-12,18H,3-4,13,19H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(2-methylphenyl)methanamine?
(4-butoxyphenyl)-(2-methylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 105094897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).