N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine

C18H31NO — CID 126671936

IUPACN-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
SMILESCC(CCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(11-12-19-18(5,6)7)20-16-10-8-9-15(13-16)17(2,3)4/h8-10,13-14,19H,11-12H2,1-7H3
InChIKeySRPQIARWWOECSB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds5

About N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine

N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine (PubChem CID 126671936) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
PubChem CID126671936
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
SMILESCC(CCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(11-12-19-18(5,6)7)20-16-10-8-9-15(13-16)17(2,3)4/h8-10,13-14,19H,11-12H2,1-7H3
InChIKeySRPQIARWWOECSB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine
CID 146332090
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
N-tert-butyl-3-(2,3-dimethylphenoxy)butan-1-amine
CID 114996294
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine (CID 126671936) is N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine is CC(CCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine?
The InChIKey is SRPQIARWWOECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(11-12-19-18(5,6)7)20-16-10-8-9-15(13-16)17(2,3)4/h8-10,13-14,19H,11-12H2,1-7H3.
What are the key properties of N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine?
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine is sourced from PubChem (CID 126671936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).