N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine

C18H31NO — CID 65304878

IUPACN-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1ccc(CCC(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-20-17-11-9-16(10-12-17)8-7-15(2)13-14-19-18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyNDVVRNXNXYKDIB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds8

About N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine

N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine (PubChem CID 65304878) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
PubChem CID65304878
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1ccc(CCC(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-20-17-11-9-16(10-12-17)8-7-15(2)13-14-19-18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyNDVVRNXNXYKDIB-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
N-tert-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-amine
CID 65304418
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine (CID 65304878) is N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine is CCOc1ccc(CCC(C)CCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine?
The InChIKey is NDVVRNXNXYKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-20-17-11-9-16(10-12-17)8-7-15(2)13-14-19-18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine?
N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 65304878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).