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

C18H29NO2 — CID 103903361

IUPAC4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2(C)CCOCC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(19-14-18(2)10-12-21-13-11-18)4-5-16-6-8-17(20-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyCUFFWKAQZFCGMH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine (PubChem CID 103903361) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
PubChem CID103903361
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2(C)CCOCC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(19-14-18(2)10-12-21-13-11-18)4-5-16-6-8-17(20-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyCUFFWKAQZFCGMH-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103903391
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904882
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine (CID 103903361) is 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine is COc1ccc(CCC(C)NCC2(C)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine?
The InChIKey is CUFFWKAQZFCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(19-14-18(2)10-12-21-13-11-18)4-5-16-6-8-17(20-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 103903361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).